SCHEMBL29664574

SCHEMBL29664574

CC(C)(C)OC(=O)NCCOCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.51
▸ CNR2 P34972 3/20 0.51
▸ ALOX5 P09917 1/20 0.50
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ HSP90AB1 P08238 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18041364 1.00 BCHE (0.51) BCHECNR2ALOX5CHRNB2CHRNA4
SCHEMBL5418888 0.93 MEN1 (0.55) ALOX5CHRNB2CHRNA4MEN1KMT2A
SCHEMBL29379386 0.93 MEN1 (0.55) ALOX5CHRNB2CHRNA4MEN1KMT2A
SCHEMBL12518632 0.90 CA12 (0.55) ALOX5CHRNB2CHRNA4MEN1KMT2A
SCHEMBL25718483 0.89 CA12 (0.56) ALOX5CHRNB2CHRNA4MEN1KMT2A
SCHEMBL25718686 0.88 CA12 (0.56) ALOX5CHRNB2CHRNA4MEN1KMT2A
SCHEMBL30448507 0.88 CA12 (0.56) ALOX5CHRNB2CHRNA4MEN1KMT2A
SCHEMBL30693811 0.86 CA12 (0.57) BCHECNR2MEN1KMT2AMAPT
SCHEMBL17162067 0.86 CA12 (0.57) BCHECNR2MEN1KMT2AMAPT
SCHEMBL25987728 0.86 CA12 (0.57) BCHECNR2MEN1KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906233-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-31 — — EP disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 BCHE 569/4885CNR2 1162/4885ALOX5 3387/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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